Mol:FL5FFLNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4197 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2768 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2768 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6716 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6716 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5377 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5377 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4956 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4956 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2120 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2120 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6534 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6534 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0044 1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0044 1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4957 2.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4957 2.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 28 29 | + | M SAL 5 2 28 29 |
| − | M SBL 5 1 30 | + | M SBL 5 1 30 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 30 0.0044 1.4577 | + | M SVB 5 30 0.0044 1.4577 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 1.212 1.7424 | + | M SVB 4 28 1.212 1.7424 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 2.0624 1.1662 | + | M SVB 3 26 2.0624 1.1662 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 0.0044 -0.9854 | + | M SVB 2 24 0.0044 -0.9854 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.7769 0.482 | + | M SVB 1 22 -2.7769 0.482 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFLNS0004 | + | ID FL5FFLNS0004 |
| − | KNApSAcK_ID C00004838 | + | KNApSAcK_ID C00004838 |
| − | NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone | + | NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C20H20O9 | + | FORMULA C20H20O9 |
| − | EXACTMASS 404.11073223799997 | + | EXACTMASS 404.11073223799997 |
| − | AVERAGEMASS 404.3674 | + | AVERAGEMASS 404.3674 |
| − | SMILES COc(c1OC)c(ccc(C(O3)=C(C(c(c32)c(cc(c2O)OC)O)=O)OC)1)OC | + | SMILES COc(c1OC)c(ccc(C(O3)=C(C(c(c32)c(cc(c2O)OC)O)=O)OC)1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4956 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 2.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
17 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 28 29
M SBL 5 1 30
M SMT 5 OCH3
M SVB 5 30 0.0044 1.4577
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 1.212 1.7424
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 2.0624 1.1662
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.0044 -0.9854
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.7769 0.482
S SKP 8
ID FL5FFLNS0004
KNApSAcK_ID C00004838
NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone
CAS_RN -
FORMULA C20H20O9
EXACTMASS 404.11073223799997
AVERAGEMASS 404.3674
SMILES COc(c1OC)c(ccc(C(O3)=C(C(c(c32)c(cc(c2O)OC)O)=O)OC)1)OC
M END
